SCHEMBL3540549

SCHEMBL3540549

CN(C)CC1CN(c2ccc(N)c(N)c2)CCN1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.39
MAPT P10636 4/20 0.39
MAPK1 P28482 2/20 0.39
HTT P42858 2/20 0.39
KDM4E B2RXH2 2/20 0.39
PTK2B Q14289 2/20 0.39
RECQL P46063 1/20 0.39
RAD52 P43351 1/20 0.37
SIRT6 Q8N6T7 1/20 0.35
HTR6 P50406 1/20 0.33
ESR2 Q92731 2/20 0.32
ESR1 P03372 1/20 0.32
S100B P04271 2/20 0.32
ALDH1A1 P00352 2/20 0.32
KMT2A Q03164 2/20 0.32
ADRA2C P18825 2/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
PKM P14618 1/20 0.32
ALOX15 P16050 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3540826 0.83 MAPT (0.59) GAAMAPTMAPK1RECQLSIRT6
SCHEMBL3535320 0.77 MAPT (0.45) GAAMAPTMAPK1HTTKDM4E
SCHEMBL3535324 0.77 MAPT (0.45) GAAMAPTMAPK1HTTKDM4E
SCHEMBL6580229 0.76 MAPT (0.44) GAAMAPTMAPK1HTTKDM4E
SCHEMBL29226353 0.70 TRPC6 (0.42) GAAHTR6ALDH1A1
SCHEMBL30900298 0.70 TRPC6 (0.42) GAAHTR6ALDH1A1
SCHEMBL29276792 0.70 KDR (0.43) HTR6
SCHEMBL29276789 0.70 KDR (0.43) HTR6
SCHEMBL29276828 0.70 KDR (0.43) HTR6
SCHEMBL29745032 0.69 GAA (0.73) GAAMAPTMAPK1HTTKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7642278-B2 Nitrogen compounds such as 3-(5-morpholin-4-yl-1H-benz-imidazol-2-yl)-1H-indazole and/or isomers, used as immunology modulators, antidiabetic agents, antiogenesis inhibitors or for prophylaxis of Alzheimer's disease NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-01-05 US disclosed
US-7642278-B2 Nitrogen compounds such as 3-(5-morpholin-4-yl-1H-benz-imidazol-2-yl)-1H-indazole and/or isomers, used as immunology modulators, antidiabetic agents, antiogenesis inhibitors or for prophylaxis of Alzheimer's disease NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-01-05 US disclosed
US-7064215-B2 Indazole benzimidazole compounds CHIRON CORPORATION (US) 2006-06-20 US disclosed
US-20060079564-A1 Indazole benzimidazole compounds CHIRON CORPORATION 2006-04-13 US disclosed
EP-1401831-A1 INDAZOLE BENZIMIDAZOLE COMPOUNDS AS TYROSINE AND SERINE/THREONINE KINASE INHIBITORS CHIRON CORPORATION (US) 2004-03-31 EP disclosed
US-20030207883-A1 Indazole benzimidazole compounds CHIRON CORPORATION 2003-11-06 US disclosed
WO-2003004488-A1 INDAZOLE BENZIMIDAZOLE COMPOUNDS AS TYROSINE AND SERINE/THREONINE KINASE INHIBITORS CHIRON CORPORATION (US) 2003-01-16 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060079564-A1 Indazole benzimidazole compounds ABL1, ABL2, ALK GAA 1060/4885MAPT 19/4885MAPK1 1486/4885
US-20030207883-A1 Indazole benzimidazole compounds SLCO1B3, SLCO1B1, SLCO4C1 GAA 194/4885MAPT 1127/4885MAPK1 4078/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.